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Methyl (3-oxo-1-cyclohexen-1-yl)acetate
SpectraBase Compound ID KjeZUUsC38y
InChI InChI=1S/C9H12O3/c1-12-9(11)6-7-3-2-4-8(10)5-7/h5H,2-4,6H2,1H3
InChIKey OCEDLANDPHBQIG-UHFFFAOYSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91tK6uhCnLa
Name Methyl (3-oxo-1-cyclohexen-1-yl)acetate
Alternate Name(s) 1-Cyclohexene-1-acetic acid, 3-oxo-, methyl ester 2-(3-ketocyclohexen-1-yl)acetic acid methyl ester 2-(3-oxo-1-cyclohexenyl)acetic acid methyl ester Methyl 2-(3-oxidanylidenecyclohexen-1-yl)ethanoate Methyl 2-(3-oxocyclohexen-1-yl)acetate
CAS Registry Number 30530-40-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c1-12-9(11)6-7-3-2-4-8(10)5-7/h5H,2-4,6H2,1H3
InChIKey OCEDLANDPHBQIG-UHFFFAOYSA-N
Molecular Weight 168.192 g/mol
SMILES C1C(=CC(CC1)=O)CC(=O)OC
SPLASH splash10-0901-9700000000-bdf3a2cbbf4f749fab7e
Wiley ID 1489911